Professor Ian Snook

Position

Professor

School / Work Unit

Applied Sciences

Contact Details

+(61 3) 9925 2143

ian.snook@rmit.edu.au

Location

Building: 14
Level: 5
Room: 1

City Campus

Portfolio

Science, Engineering & Health

"Picture of Ian

Qualifications

PhD (Tasmani ), B Sc (Tasmania)

Teaching/Work responsibilities

Research Interests

  • Quantum mechanical methods (DFT and QMC)
  • Molecular Dynamics techniques
  • Colloids
  • Surface physics
  • Nanostructures based on carbon and gold
  • Nanofluidics

Research Projects, Consultancy and Student Project

Atomistic computer simulation of:

  • flow of fluid in thin channels
  • adhesion of solids and crystallisation
  • computer simulation of metallic nanoparticles
  • self assembly of nanostructures on surfaces
  • computer simulation of carbon based nanostructures in particular, nano-diamond wires and graphene

Publications

Journal Papers

1970

G.H. Cheesman, A.J.T. Finney and I.K. Snook , "Studies in Halogen-Halogen Bonding". Theoret. Chem Acta (Berl.), 16 33-42 (1970).

I.K. Snook and T.H. Spurling, "Interatomic Potential Energy Functions for Hydrocarbons Tested by Use of the Hamman-Lambert Model". Aust. J. Chem., 23 819-823 (1970).

1972

I.K. Snook and T.H. Spurling, "Intermolecular Interactions in Methane, Carbon Tetrafluoride and Sulphur Hexafluoride". J. Chem. Soc. Faraday Trans. II, 68 1359-1366 (1972).

I.K. Snook , "An Alternative Derivation of Goddard’s Oii Operator". Chem. Phys. Letters, 13 229-232 (1972).

I.K. Snook and R.O. Watts, "Ab-Initio Calculations for Gaseous and Liquid Helium-4". Aust. J. Phys., 25 735-741(1972).

1973

T.H. Spurling and I.K. Snook , "INDO Calculations for F2, C12, Br2 and I2 using the Deb-Coulson Parameters". Faraday Trans. II, 69 1183-1186 (1973).

1975

I.K. Snook and T.H. Spurling, "Symmetry-Adapted Perturbation Theory of Intermolecular Potentials: the Helium-Helium Interaction", J. Chem. Soc. Faraday Trans., 71 852-861 (1975).

T.H. Spurling and I.K. Snook , "Calculation of Intermolecular Energies: The Water Dimer". Chem. Phys. Letters, 32 159-162 (1975).

I.K. Snook and W. van Megen, "Colloidal Properties from First Principles". Chem. Phys. Letters, 33 156-158 (1975).

W. van Megen and I.K. Snook , "A Hard Sphere Model for Order-Disorder Transitions in Colloidal Dispersions". Chem. Phys. Letters, 35 399-402 (1975).

W. van Megen and I.K. Snook , "Microscopic Approach to Colloidal Stability". J. Colloid and Interface Sci., 53 172-177(1975).

1976

I.K. Snook and W. van Megen, "Prediction of Ordered and Disordered States in Colloidal Dispersions". J.C.S Faraday Trans. II, 72 316-223 (1976).

W. van Megen and I.K. Snook , "Statistical Mechanical Approaches to Phase Transitions in Hydrophobic Colloids I. Effects of Electrolyte Concentration". J. Colloid and Interface Sci., 57 40-46 (1976).

I.K. Snook and W. van Megen, "Statistical Mechanical Approaches to Phase Transitions in Hydrophobic Colloids II.Effects of Particle Size". J. Colloids and Interface Sci., 57 47-51(1976).

W. van Megen and I.K. Snook , "Ordered States in Systems of Macroscopic Particles". Nature, 262 571-572 (1976).

I.K. Snook and R.O. Watts, "Perturbation Theories in Non-Equilibrium Statistical Mechanics I. Methods Based on Time Displacement Operator". Mol. Phys., 33 413-441 (1976).

1977

A. Homola, I.K. Snook and W. van Megen, "Excess Pressure in Colloidal Dispersions". J. Colloid and Interface Sci., 61 493-498 (1977).

W. van Megen and I.K. Snook , "Structure and Ordering in Dilute Dispersions of Spherical Particles". J. Chem. Phys., 66 813-817 (1977).

I.K. Snook and R.O. Watts, "Perturbation Theories in Non-Equilibrium Statistical Mechanics II. Methods Based on Memory Function Formalism". Mol. Phys., 33 443-452 (1977).

1978

W. van Megen and I.K. Snook , "Statistical Mechanical Approach to Phase Transitions in Colloids". Faraday Disc., Chem. Soc., 65 92-100 (1978).

I.K. Snook and D. Henderson, "Structure of Hard Sphere Fluids near Hard Walls". J. Chem. Phys., 68 2134-2139 (1978).

1979

I.K. Snook and W. van Megen, "Structure of Dense Liquids at Solid Interfaces". J. Chem. Phys., 70 3099-3105 (1979).

W. van Megen and I.K. Snook , "Solvent Structure and Solvation Forces between Solid Bodies". Faraday Trans. II, 75 1095-1102 (1979).

K. Gaylor, W. van Megen and I.K. Snook , "Structure of Dispersions of Small Strongly Interfacing Particles". J.C.S Faraday Trans. II, 75 451-455 (1979).

K. Gaylor, I.K. Snook , W. van Megen and R.O. Watts, "Brownian Dynamics Studies of Dilute Dispersions". Chem. Phys., 43 233-239 (1979).

I.K. Snook and W. van Megen, "The Solvation forces between Colloidal Particles". Phys. Letters, 74A 332-334 (1979).

1980

W. van Megen and I.K. Snook , "The Grand Canonical Ensemble Monte Carlo Method Applied to Electrolyte Solutions". Mol. Phys., 39 1043-1054 (1980).

W. van Megen, I.K. Snook and R.O. Watts, "Elastic Properties of Model Colloids". Colloid and Interface Sci., 77 131-137 (1980).

I.K. Snook and W. van Megen, "Solvation Forces in Simple Dense Fluids". J. Chem. Phys., 72 2907-2913 (1980).

K. Gaylor, I.K. Snook , W. van Megen and R.O. Watts, "Brownian Dynamics of Many Body Systems". Faraday Trans II, 76 1067-1078 (1980).

K. Gaylor, I.K. Snook , W. van Megen and R.O. Watts, "Dynamics of Colloidal Systems : Time Dependent Structure Factors". Phys. A., 13 2513-2520 (1980).

W. van Megen and I.K. Snook , "The Grand Canonical Ensemble Monte Carlo Applied to the Electrical Double Layer". J. Chem. Phys., 73 4656-5662 (1980).

1981

W. van Megen and I.K. Snook , "Solvation Forces in Simple Fluids II. Effect of Chemical Potential". J. Chem Phys., 74 1409-1411 (1981).

K. Gaylor, I.K. Snook and W. van Megen, "Comparison of Brownian Dynamics and Photon Correlation Spectroscopy of Strongly Interacting Particles". J. Chem. Phys., 75 1682-1689 (1981).

I.K. Snook and W. van Megen, "Calculation of Solvation Forces between Solid Particles Immersed in a Simple Fluid". Faraday Trans. II, 77 181-190 (1981).

I.K. Snook and W. van Megen, "Finite Ion Size Effects in the Electrical Double Layer". J. Chem. Phys., 75 4104-4106 (1981).

1982

B.N. Preston, W.D. Comper, A.E. Hughes, I.K. Snook and W. van Megen, "Diffusion of Dextran at Intermediate Concentrations". Chem. Soc., Faraday Trans. I, 78 1209-1221 (1982).

I.K. Snook and W. van Megen, "Adsorption of Gases at High Pressure I. The Critical Region". Mol. Phys., 45 629-636 (1982).

I.K. Snook and W. van Megen, "Solvation Forces in Simple Dense Fluids III.Monolayer and Submonolayer Region". J. Chem. Phys., 75 4738-4739 (1982).

I.K. Snook and W. van Megen, "Physical Adsorption of Gases at High Pressure II. The Effect of Temperature". Mol. Phys., 47 1417-1428 (1982).

1983

W. van Megen I.K. Snook and B. Vincent, "Monte Carlo Simulation of Small Particle Adsorption at the Solid Electrolyte-Solution Interface". J. Colloid. and Interface Sci., 92 262-264 (1983).

W. van Megen, I.K. Snook and P.N. Pusey. "Diffusion in Concentrated Hard Sphere Dispersions I. Effects of Two and Three Particle Mobilities". J. Chem. Phys., 78 931-936 (1983).

W. van Megen, I.K. Snook and A.J.A. Tough, "Diffusion in Concentrated Hard Sphere Dispersions II. Effective Two Particle Mobility Tensors". J. Chem. Phys., 78 5825-5836 (1983).

Y.M. Tricot, D.N. Furlong, W.H.F. Sasse, P. Daivis and I.K. Snook , "Adsorption Properties and Stability of Dihexadecylphosphate Vesicles". Aust J. Chem., 36 609-612 (1983).

D. Henderson and I.K. Snook , "The Adsorption of Gases and Vapours on a Solid Surface". J. Phys. Chem., 87 2956-2959 (1983).

1984

Y.M. Tricot, D.N. Furlong, W.H.F. Sasse, Daivis, I.K. Snook and W van Megen, "Dihexadecylphosphate Vesicle Dispersions - Preparation, Physical Properties and Inter-actions with Cationic Components used in the Solar Photolysis of Water". J. Colloid and Interface Sci., 97 380-391 (1984).

W. van Megen and I. K. Snook , "Hard Sphere Perturbation Theories Applied to Concentrated Colloidal Dispersions". J. Colloid and Interface Sci., 100 359-371 (1984).

I.K. Snook and W. van Megen, "Calculation of the Wave-Vector Dependent Diffusion Constant in Concentrated Electrostatically Stabilized Dispersions". J. Colloid and Interface Sci., 100 194- 202 (1984).

I.K. Snook and W. van Megen, "A Simple Model for the Interpretation of Static Structure Factors of Ion-Exchange Latex Suspensions". J. Colloid and Interface Sci., 102 446-452 (1984).

I.K. Snook and W. van Megen, "Brownian Dynamics Simulation of Concentrated Charge Stabilized Dispersions. Self Diffusion". Chem. Soc. Faraday Trans. II, 80 383-394 (1984).

W. van Megen and I. K. Snook , "Diffusion in Concentrated Monodispersed Colloidal Solutions : The Hard Sphere - Thermodynamic or Hydrodynamic?". Disc. Faraday Soc., No. 76 151-163 (1984).

P. Daivis, I.K. Snook , W. van Megen, B.N. Preston and W.D. Comper, "Dynamic Light Scattering Measurements of Diffusion in Polymer-Polymer-Solvent Systems". Macromolecules, 17 2376-2380 (1984).

1985

W. van Megen and I.K. Snook , "Physical Adsorption of Gases at High Pressure III. Adsorption in Slit-Like Pores". Mol. Phys., 54 741-755 (1985).

1986

W. van Megen, S.M. Underwood and I.K. Snook , "Tracer Diffusion in Concentrated Colloidal Dispersions". J. Chem. Phys., 85 4065-4072 (1986).

1987

E.R. Smith, I.K. Snook and W. van Megen, "Hydrodynamic Interactions in Brownian Dynamics I. Periodic Boundary Conditions for Computer Simulations". Physica, 143A 441-467 (1987).

1988

W. van Megen and I.K. Snook , "Dynamic Computer Simulation of Concentrated Dispersions". J. Chem. Phys., 80 1185-1191 (1988).

1990

M.R. Reich, S.P. Russo, I.K. Snook and H.K. Wagenfeld, "The Application of S.A.X.S. to the Determination of Fractal Properties of Porous Carbon Based Solids". J. Colloid and Interface Science, 135 353-362 (1990)

K. Hunter, D. Swingler, I. Snook and H.K. Wagenfeld, "Monte Carlo Calculation of the Contribution of Backscattered Electrons to the Secondary Electron Yield of Aluminium". J. Physics D, J. Applied Physics, 23 1738-1743 (1990).

1991

I.K. Snook , W. van Megen and P.N. Pusey, "The Structure of Colloidal Glasses Calculated by the Molecular Dynamics Method and Measured by Light Scattering". Physical Review, A, 43 6900 - 6907 (1991).

K. Briggs, E.R. Smith, I.K.Snook and W.van Megen, "Positive Definiteness of the Mobility Matrix for Computer Simulation of Systems of Hard Spheres with Stick Hydrodynamic Boundary Conditions". Physics Letters, A154 149-153 (1991).

1992

M.R. Reich, I.K. Snook and H.K. Wagenfeld, "A Fractal Interpretation of the Effect of Drying on Pore Structure of Victorian Wet and Dry Brown Coal". Fuel, 71 669-672 (1992).

I.K. Snook and J.B. Hayter, "Static Structure of Strongly Interacting Colloidal Particles". Langmuir 8 2880 - 2884 (1992).

1993

P.R. Johnston, P. McMahon, M.R. Reich, I.K. Snook and H.K.Wagenfeld, "The Effect of Processing on the Fractal Pore Structure of Victorian Brown Coal". J. Colloid and Interface Science, 155 146-151 (1993).

I. Snook and P. McMahon, "Fractal Pore Surfaces in Brown Coal, Their Changes on Processing and Their Effect on Combustion". Langmuir, 9 2726 - 2729 (1993).

1994

K.L. Hunter, I.K. Snook and H.K. Wagenfeld, "Enhanced Secondary Electron Emission from Multilayer Surfaces: Experiment and Monte Carlo Simulation". J. Phys. D: Appl. Phys., 27 1769-1773 (1994).

1995

S.D. Moss, R.A. O'Sulivan, P.J.K. Paterson, I.K. Snook , A.J. Russo, A. Katsaros and N. Savvides, "Modification of the adhesion and contact resistance of the Ag/YBa2Cu3O7 interface with keV electron irradiation". J. Appl. Phys., 78 5782 - 5786 (1995).

1996

K. Hunter, I. Snook and H. Wagenfeld, "Monte Carlo study of electron transmission and backscattering from metallic thin films". Phys. Rev. B, 54 4507 - 4510 (1996).

S. Pickering and I. Snook , "A Parallel Implementation of Molecular Dynamics". J. High Performance Computing, 3 15 - 22 (1996).

P. McMahon and I. Snook , "Small angle scattering from porous mass fractal solids". J. Chem. Phys., 105 2223 - 2227 (1996).

1997

A. McDonough, A. Panjkov, S. Russo and I. Snook , "Implementation of a molecular dynamics simulation on atransputer array in parallel C", Computer Phys. Comms., 103 157-169 (1997).

S. Pickering and I. Snook , "Molecular dynamics simulation of crystallisation of metastable fluids". Physica A, 240 297 - 304 (1997).

I.K. Snook , K.M. Briggs and E.R. Smith, "Hydrodynamic interactions and some new periodic structures in three particle sediments". Physica A, 240 547-559 (1997).

S.L. Lai, W.J. Ma, W. van Megen and I.K. Snook , "Liquid glass transition phase diagram for concentrated charge-stabilized colloids". Phys. Rev. E, 56 766-769 (1997).

1998

S. Pickering and I.K. Snook , "A massively parallel molecular dynamics algorithm for the MasPar supercomputer". Computer Physics Communications, 108 200-210 (1998).

B. O'Malley, I. Snook and D. McCulloch, "Reverse Monte Carlo analysis of the structure of glassy carbon using electron-microscopy data". Phys. Rev. B, 57 1-10 (1998).

G. Grechola, S. Russo and I. Snook , "An ab-initio potential for Ne2 and the equilibrium properties of neon". Mol. Phys., 95 471-475 (1998).

Ian Snook , "Some personal reminiscences on John Barker and his influence in Australia". Molecular Physics, 95 127 (1998).

1999

P.J. McMahon, I.K. Snook , S.D. Moss and P.R. Johnston, "Influence of Fractal Pores on the Oxidation Behaviour of Brown Coal". Energy and Fuels, 13 965 (1999).

2001

A. McDonough, S.P. Russo and I.K. Snook , "Long time behaviour of the velocity autocorrelation function for moderately dense, soft-repulsive and Lennard-Jones fluids". Phys. Rev. E, 63 26109 - 26117 (2001).

Phillip J. McMahon, Ian Snook and Edgar Smith, "An alternative derivation of the equation for small angle scattering from pores with fuzzy interfaces", J. Chem. Phys., 114 7117-7118 (2001).

M.G. McPhie, P.J. Daivis, I.K. Snook , J. Ennis and D.J. Evans, "Generalised Langevin equation for nonequilibrium systems". Physica A, 299 412-426 (2001).

S.R. Williams, I.K. Snook and W. van Megen, "Molecular dynamics study of the stability of the hard sphere glass". Phys. Rev. E, 64 21506-21512 (2001).

2002

A.S. Barnard, S.P. Russo and I.K. Snook , "Comparative Hartree-Fock and Density Functional Theory Study of Cubic and Hexagonal diamond". Phil. Mag. B, 82 1767-1776 (2002).

G. Bryant, S.R. Williams, L. Qian, I.K. Snook , E.Perez and F. Pincet, "How Hard is a Colloidal ‘Hard-Sphere’ Interaction", Phys. Rev. E, 66 060501-060504 (2002).

G. Grochola, S. Russo, I. Snook and I. Yarovsky, "Universal Simulation Method to Compute Surface and Interfacial Free Energies of Disordered Solids", J. Chem. Phys., 117 7685-7690 (2002).

G. Grochola, S. Russo, I. Snook and I. Yarovsky, "New Lambda Integration Method to Compute Surface Free Energies of Disordered Surfaces". J. Chem. Phys., 117 7676-7684. (2002).

G. Grochola, T. Petersen, S.P. Russo and I.K. Snook (2002), "A Study of Basis Set Imbalance on the Calculation of Interatomic Potentials for van der Waals Systems". Molecular Physics 100 3867-3872 (2002).

G. Grochola, S. Russo, I. Snook and I. Yarovsky, "On Simulation Methods to Compute Surface and Interfacial Free Energies of Disordered Solids". J. Chem. Phys., 116 (20) 8547-8555 (2002).

A. Hung, I. Yarovsky, J. Muscat, S. Russo, I. Snook , and R.O.Watts, "First Principles Study of Metallic Iron Interfaces". Surface Science, 501 261-269 (2002).

G. Opletal, T. Petersen, B. O’Malley, I. Snook , D. McCulloch, N. Marks and I. Yarovsky, "Hybrid Approach for Generating Realistic Amorphous Carbon Structure using Metropolis and Reverse Monte Carlo". Molecular Simulation, 28 927-938 (2002).

Robert J. Rees, Ian K. Snook and David E. Mainwaring, "Structural characterisation of curved interfacial films of T&S-LJ Fluid by Molecular simulation". Molecular Simulation, 28 917-925 (2002).

I. Snook , I. Yarovsky, H. Hanley, M.Y. Lin, D. Mainwaring, H. Rogers, and P. Zulli "Characterisation of metallurgical chars by small angle neutron scattering". Energy and Fuel, 15 1009-1015 (2002).

M. Spencer, A. Hung, I. Snook and I. Yarovsky, "Further Studies of Iron Adhesion: (111) Surfaces". Surface Science, 515 L464-L468 (2002).

M. Spencer, A. Hung, I. Snook and I. Yarovsky, "DFT Modelling of the Relaxations and Energy of Fe (10), (110) and (111) Surfaces". Surface Science, 513 389-398 (2002).

P.J. McMahon, I.K. Snook and W. Treimer, "The pore structure in Processed Victorian Brown Coal", J. Colloid and Interface Sci., 252 177 (2002)

2003

A.S. Barnard, S.P. Russo and I.K. Snook , "Coexistence of Bucky Diamond with the Nanodiamond and Fullerene Carbon Phases". Phys. Rev B. 68 073406 (2003). [Selected for inclusion in Virtual Jounal of Nanoscale Science and Technology Vol.8 Iss. 11 (2003)]

A.S. Barnard, S.P. Russo and I.K. Snook , "Ab initio Modelling of Stability of Nanodiamond Morphologies". Phil. Mag. Lett., 83 39-45 (2003).

A.S. Barnard, S.P. Russo and I.K. Snook , "First Principles Investigations of Diamond Ultrananocrystals". Int. J. Mod. Phys. B, 17 3865-3879 (2003).

A.S. Barnard, S.P. Russo and I.K. Snook , "Ab Initio Modelling of Dopants in Diamond Nanowires: II". Phil. Mag., 83 2311 (2003).

A.S. Barnard, S.P. Russo and I.K. Snook , "Ab Initio Modelling of Band States in Doped Diamond". Phil Mag, 83 1163-1179 (2003).

A.S. Barnard, S.P. Russo and I.K. Snook , "Structural Relaxation and Relative Stability of Nanodiamond Morphologies". Diamond Relat. Mater. 12 1867-1872 (2003).

A.S. Barnard, S.P. Russo and I.K. Snook , "Ab Initio Modelling of B and N in Diamond Nanowires". Phil. Mag., 83 2301 (2003)

A.S. Barnard, S.P. Russo and I.K. Snook , "Size Dependent Phase Stability of Carbon Nanoparticles: NanodiamondVersus Fullerenes". J. Chem. Phys., 118 5094-5097 (2003). [Selected for inclusion in Virtual Journal of Nanoscale Science and Technology Vol.7 Iss. 10 (2003)]

A.S. Barnard, S.P. Russo and I.K. Snook , "Electronic Band Gaps of Diamond Nanowires". Phys. Rev. B, 68 235407 (2003)

A.S. Barnard, S.P. Russo and I.K. Snook , "Surface Structure of Cubic Diamond Nanowires". Surf. Sci., 538 204 (2003).

A.S. Barnard, S.P. Russo and I.K. Snook , "Ab Initio Modelling of Diamond Nanowire Structures". Nano Letters 3 1323-1328 (2003). [Feature article for the cover of Vol. 3, Iss. 10 (2003)]

A.S. Barnard, S.P. Russo and I.K. Snook , "AbIinitio Modelling of B and N in C29 and C29H24 Nanocrystalline Diamond". J. Chem. Phys., 118 10725 (2003).

B. O'Malley, and I. Snook , "Crystal Nucleation in the Hard Sphere Fluid at Co-existence", Phys. Rev. Letters, 90 85702 (2003).

T. Petersen, I. Yarovsky, I. Snook , D.G. McCulloch, and G. Opletal, "Structural Analysis of Carbonaceous Solids Using an Adapted Reverse Monte Carlo Algorithm". Carbon 41 2403 (2003).

R.J. Rees, D.E. Mainwaring and I.K. Snook , "Modelling the Liquid-gas-like Interface of Simple Fluid Films Confined to Nano-pores: by Molecular Simulation". J. Mol. Liquids, 103-104 423-440 (2003).

S.P. Russo, A.S. Barnard and I.K. Snook , "Hydrogenation of Nanodiamond Surfaces: Structure and Effects on Crystalline Stability". Surf. Rev. Lett., 10 233-239 (2003).

I. Snook , B. O’Malley, M. McPhie and P. Daivis, "The approach to the Brownian limit in particulate dispersions". J. Mol. Liquids, 103-104 405-421 (2003).

M.J.S. Spencer, A. Hung, I.K. Snook , and I. Yarovsky, "Sulfur Adsorption on Fe(110): A DFT Study". Surface Science 540 420-430 (2003).

M.J.S. Spencer, A. Hung, I.K. Snook , and I. Yarovsky, "Iron surfaces: Pathways to Interfaces". Surface Review and Letters 10 169-174 (2003).

2004

A.S. Barnard, S.P. Russo and I.K. Snook , "From Nanodiamond to Diamond Nanowires: Structural Properties Affected by Dimension". Phil Mag, 84 899 (2004).

A. Barnard, P. Bath, S.P. Russo and I.K. Snook , "A Stillinger-Weber Monte-Carlo Study of Surface Reconstruction in (100) and (111) Diamond Surfaces". Molecular Simulation 30 1 (2004).

A.S. Barnard, S.P. Russo and I.K. Snook , "Bucky-Wires and the Instability of Diamond (111) Surfaces in One-dimesion". J. Nanosci. Nanotech., 4 151 (2004).

A.S. Barnard and I.K. Snook , "Phase Stability of Nanocarbon in One-dimension: Nanotubes Versus Diamond Nanowires", J. Chem. Phys. 120, 3817 (2004). [Selected for inclusion in Virtual Journal of Nanoscale Science and Technology Vol.9 Iss. 9 (2004)]

N. Benedek, I. Yarovsky, K. Latham and I. Snook , "Quantum Monte Carlo Study of the Water Molecule: a Preliminary Investigation". Australian Journal of Chemistry, 57 1229-1232 (2004).

G. Grochola, S.P. Russo, I.K. Snook , "On computer simulation methods for calculating 'exact' surface formation free energies of Ad-atoms, steps and (1x2) missing row reconstructions". Surface Science, 560 226 (2004).

G. Grochola, S.P. Russo, I. Yarovsky, I.K. Snook , "Exact’ Surface Free Energies of Low Index Iron Surfaces Using a MEAM Potential and λ-integration of the ‘Universal’ Type". Journal of Chemical Physics 120 3425 (2004).

T. Kairn, P.J. Daivis, M.L. Matin and I.K. Snook , "Effects of Concentration on Steady-State Viscometric Properties of Short Chain Polymer Solutions Over the Entire Concentration Range". International Journal of Thermophysics, 25 1075-1084 (2004).

T. Kairn, P.J. Daivis, M.L. Matin and I.K. Snook , "Concentration Dependence of Viscometric Properties of Short Chain Polymer Solutions". Polymer, 45 2453-2464 (2004).

T. Petersen, I. Yarovsky, I. Snook , D. G. McCulloch, and G. Opletal, "Microstructure of an Industrial Char by Diffraction Techniques and RMC Modelling". Carbon, 42, 2457-2469 (2004).

M. Spencer, I. Snook and I. Yarovsky, "Effect of Sulfur Impurity on Fe (110) Adhesion: a DFT Study". J. Phys.Chem. B, 108 10965-10972 (2004).

2005

A.S. Barnard, S.P. Russo and I.K. Snook , "First-Principles Modelling of Dopants in C29 and C29H24 Nanodiamonds: Part II". J. Phys. Chem. B, 109 11991-11995 (2005).

A.S. Barnard, S.P. Russo and I.K. Snook , "Visualizing Hybridization in Nanocarbon Systems". J. Comp. Theo. Nanosci., 2 68 (2005).

N.A. Benedek, I.K. Snook , K. Latham and I. Yarovsky, "Assessing the Performance of Numerical Basis Sets within DFT: Application to Selected Hydrogen Bonded Systems". J. Chem. Phys., 122 144102 (2005).

Gregory Grochola, , Johan du Plessis, Ian K. Snook and Salvy P. Russo, "On the computational calculation of adatom, vacancy and early stage surface nucleation island free energies on the (1 11) copper surface". Surface Science, 591 32-37 (2005).

G. Grochola, S.P. Russo and I.K. Snook , "Application of the Constrained Fluid λ-Integration Path to the Calculation of High Temperature Au(110) Surface Free Energies". J. Chem Phys., 122 064711 (2005).

Gregory Grochola, Salvy P. Russo and Ian K. Snook , "On Fitting a Gold EAM Potential Using the Force Matching Method". J. Chem. Phys., 123 204719 (2005)

G. Grochola, S.P. Russo, I.K. Snook , "On the computational calculation of surface free energies for the disordered semihexagonal reconstructed Au(100) surface". J. Chem. Phys. 122 174510 (2005).

S.G. Nelson, M.J.S. Spencer, I.K. Snook and I. Yarovsky, "Effect of Sulphur on Surface and Interface Properties of Fe(100) Surfaces:A DFT Study". Surface Science, 590 63-75 (2005).

G. Opletal, T. Petersen, I. Snook , D. McCulloch and I. Yarovsky, "The structure of disordered carbon solids studied by using a hybrid Reverse Monte Carlo algorithm". J. Phys.: Condens. Matter, 17 2605 (2005).

T.C. Petersen, W. E. McBride, D.G. McCulloch, I.K. Snook and I. Yarovsky, "Refinements in the Collection of Energy Filtered Electron Diffraction Patterns from Disordered Materials". Ultramicroscopy, 103 275-283 (2005).

Tim C. Petersen, Ian K. Snook , Irene Yarovsky and Dougal G. McCulloch, "Monte Carlo based modeling of carbon nanostructured surfaces". Phys. Rev. B, 72 125417 (2005).

Ian Snook , Amanda Barnard, Salvy Russo, Ryan Springall and Jhan Srbinovsky, "Simulating Nano-Carbon Materials". Molecular Simulation, 31 495 – 504 (2005).

M.J.S. Spencer, I.K. Snook , and I. Yarovsky, "Coverage –dependant Adsorption of Atomic Sulfur on Fe(110) surface: a DFT Study". J. Phys. Chem. B, 109 9604-9612 (2005).

M.J.S. Spencer, I.K. Snook , and I. Yarovsky, "Effect of Sulfur coverage on Fe(110) Adhesion: a DFT study". J. Phys. Chem. B, 109 10204-10214 (2005).

B. O'Malley and I. Snook , "Structure of the hard sphere fluid and precursor structures to crystallisation". J. Chem. Phys., 123 054511 (2005).

2006

N.A. Benedek, I.K. Snook , M.D. Towler and R.J. Needs, "Quantum Monte Carlo calculations of the dissociation energy of the water dimer", J. Chem. Phys., 125 104302 (2006)

N. Benedek, K. Latham, I. Snook , I. Yarovsky, "Density Functional Theory Study of Hydrogen Bonding in Ionic Molecular Materials", J. Phys. Chem. B, 110 19605-19610 (2006)

Y.H. Chui, R.J. Rees, I.K. Snook , B. O'Malley and S.P. Russo, "Topological characterization of crystallization of gold nanoclusters", J. Chem. Phys., 125 114703 (2006)

G. Grochola, I. Snook , D. Chui and S.P. Russo, "Exploring the effects of different immersion environments on the growth of gold nanostructures", Mol. Sim., 32 1255 (2006)

M.G. McPhie, P.J. Daivis and I.K. Snook , "Viscosity of a binary mixture: Approach to the hydrodynamic limit", Phys. Rev. E, 74 031201 (2006)

M.J.S. Spencer, I.K. Snook and I. Yarovsky, "Effect of S Arrangement on Fe(110) Properties at 1/3 Monolayer Coverage: a DFT Study", J. Phys. Chem B, 110 956-962 (2006)

S.R. Williams, P. McGlynn, G. Bryant, I.K. Snook and W. van Megen, "Dynamical signatures of freezing: Stable fluids, metastable fluids and crystals", Phys. Rev. E, 74 031204 (2006)

S.R. Williams, G. Bryant, I.K. Snook and W. van Megen, "Velocity autocorrelation functions of hard-sphere liquids: Long-time tails upon undercooling", Phys. Rev. Letters, 96 087801 (2006)

T.C. Petersen, I. K. Snook , I. Yarovsky, D. G. McCulloch and B. O’Malley, "Curved-surface atomic modelling of nano-porous carbon", J. Phys. Chem. C, 111 802 (2006)

2007

A.S. Barnard, S.P. Russo and I.K. Snook , "Bonding and Structure in BxNyNanotubes (x,y = 1,2)", Journal Materials Chemistry, 17 2892 (2007)

Y.H. Chui, I.K. Snook , S.P. Russo, "Visualisation and Analysis of Structural Ordering during Crystallization of a Gold Nanoparticle", Phys. Rev. B , 76 195427 (2007)

D. Chui, G. Grochola, I. Snook and S. Russo, "Theoretical Study of Gold Nanostructure with Unusual Morphologies", J. Compt. and Theoret. Nanoscience, 4(2) 291 (2007).

Y.H. Chui, G. Grochola, I.K. Snook and S.R. Russo, "Molecular dynamics investigation of the structural and thermodynamic properties of gold nanoclusters of different morphologies", Phys. Rev. B, 75 033404 (2007)

G. Grochola, S.P. Russo and I.K. Snook , "On morphologies of gold nanoparticles grown from molecular dynamics simulation", J. Chem. Phys., 127 1640707(2007)

G. Grochola , I.K. Snook and S.P. Russo, "Computational modeling of nanorod growth", Journal of Chemical Physics, 127 194707(2007). [Chosen for the Virtual Journal of Nanoscience & Technology, December 3, 2007]

G. Grochola, S.P. Russo and I.K. Snook , "On the formation mechanism of the "pancake"decahedron gold nanoparticle", Journal of Chemical Physics, 127 224705 (2007)

G. Grochola , I.K. Snook and S.P. Russo, "On the Relative Stabilities of Gold nanoparticles", Journal of Chemical Physics, 127 224704 (2007).

G. Opletal,T.C. Petersen, I.K. Snook and D.G. McCulloch, "Modeling of structure and porosity in amorphous silicon systems using Monte Carlo methods", J. Chem. Phys., 126 214705 (2007)

R. Springall, M. Per and I. Snook , "Evaluation of the permutation structure of quantum gases at finite temperature", Phys. Rev. E, 75 031124 (2007)

2008

D. Wilson, N.C. Wilson, I.K. Snook and S.P. Russo, "The Magnetic Properties of CoPt, bulk and ultra-thin films: an ab initio study", Journal of Theoretical and Computational Nanoscience, 5 (1) 44-47 (2008)

Amanda S. Barnard and Ian K. Snook , "Thermal Stability of Graphene Edge Structure and GrapheneNanoflakes", J. Chem. Phys., 128 094707 (2008)

R. Springall, M.C. Per, S.P. Russo and I.K. Snook , "Quantum Monte Carlo calculations of the potential energy curve of the Helium dimer", J. Chem. Phys., 128 114308 (2008)

M.C. Per, S.P. Russo and I.K. Snook , "Electron-nucleus cusp correction and forces in quantum Monte Carlo", J. Chem. Phys. 128 114106 (2008)

G. Opletal, T. Petersen, D. McCulloch, I. Yarovsky and I. Snook , "HRMC: Hybrid Reverse Monte Carlo method with silicon and carbon potentials", Computer Phys. Communications, 178 777 (2008)

A.S. Barnard, G. Opletal, I.K. Snook ands S.P. Russo, "Ideality vesus Reality: Emergence of the Chui Icosahedron", J. Phys. Chem. C, 112(38) 14848 (2008)

I. Snook , M.C. Per and S.P. Russo, "An analysis of the correlation energy contribution to the interaction energy of inert gas dimers", J. Chem. Phys. 129 164109 (2008)

I. Snook , P. Daivis and T. Kairn, "The flow of colloids and polymers in channels using non-equilibrium molecular dynamics", J. Phys.: Condens. Matter, 20 404211 (2008)

G. Grochola, I.K. Snook and S.P. Russo, "Influence of substrate morphology on the growth of gold nanoparticles", J. Chem. Phys., 129 154708 (2008)

Y.H. Chui, G. Optelal, I.K. Snook , and S.P. Russo, "Modeling the crystallization of gold nanoclusters-the effect of the potential energy function", Journal of Physics (Condensed Matter), CM/291092/SPE (accepted for publication), 2008

Reviews and Book Chapters

H. Bloom and I.K. Snook , "Models for Molten Salts". In Modern Aspects of Electrochemistry, No. 9., Ed. B.E. Conway and J.O.M. Bockris (Plenum, N.Y.),pp. 159-238 (1974).

I.K. Snook and W. van Megen, "Forces and Structure in Hydrophobic Colloids". Proc. R.A.C.I., 43 205-208 (1976).

I.K. Snook , W. van Megen, K. Gaylor and R.O. Watts, "Computer Simulation of Colloidal Dispersions". Advances in Colloidal and Interface Science, 17 33-49 (1982).

W. van Megen and I.K. Snook , "Equilibrium Properties of Suspensions". Advances in Colloid Interface Science, 21 119-194 (1984).

I. Snook , "Brownian Dynamics, Hydrodynamics and Colloidal Dynamics". Current Topics in Colloid and Interface Science, Research Trends, India, Volume 2 111-129 (1997).

A.S. Barnard, S.P. Russo and I.K. Snook , Review, "Modeling of Stability and Phase Transformations in Quasi-Zero Dimensional Nanocarbon Systems". J. Comp. Theo. Nanosci., 2 180-201 (2005).

A.S. Barnard, S.P. Russo and I.K. Snook , "Simulation and Bonding of Dopants in Nanocrystalline Diamond". Invited review for special issue of J. Nanosci. Nanotech, 5 (9) 1395–1407 (2005).

A.S. Barnard, S. P. Russo and I.K. Snook , "Modeling of Stability and Phase Transformations in 0 and 1 Dimensional Nanocarbon Systems". Invited chapter for the "Handbook of Theoretical and Computational Nanotechnology", editors M. Rieth, W. Schommers, American Scientific Publishers, Chapter 12, Volume 9, pp 574-622 (2006).

Monograph

"The Langevin and GeneralisedLangevin Approach to the Dynamics of Atomic, Polymeric and Colloidal Systems", Ian Snook , Elsevier, Amsterdam, ISBN-13:978-0-44-52129-3 and ISBN-10;0-444-52129-1, December 2006 (Copyright 2007).

Conference Proceedings (Refereed Papers)

W. van Megen and I.K. Snook , "Microscopic Approach to the Properties of Model Colloids". Proc. International Conference on Surface and Colloid Science, Budapest, Vol. 2, Ed. E. Wolfram. (1976) pp. 185-192.

I.K. Snook and W. van Megen, "Machine Simulation of Colloidal Dispersions". In "Colloid and Interface Science" Vol IV Ed. Milton Kerker Academic Press, N.Y. (1976) pp. 1-

W. van Megen and I.K. Snook , "The Structure of Liquids near Solid Surfaces". In "Computer Simulation of Macroscopic Properties". ISBN 09090099 43X, (1979).

K. Gaylor, I.K. Snook , W. van Megen and R.O. Watts, "Application of Brownian Dynamics to Photon Correlation Spectroscopy". In "Light Scattering in Fluids and Macromolecular Solutions", Eds. E. Degiongio, M. Corti, and M. Giglio, Plenum, N.Y. (1980), pp 71-80.

M. Setek, I.K. Snook and H.K. Wagenfeld, "Determination of the Microstructure of Wet and Dry Brown Coal by Small angle X-Ray Scattering". The Chemistry of Low Rank Coals, A.C.S. Symposium No.264, Ed. H.H. Schobert, A.C.S, Washington (1984).

I.Snook and S.Pickering, "Molecular Dynamics on a Massively Parallel Computer for Application to Surface Systems". Computational Approaches for Novel Condensed Matter Systems, Editors M. Das and D. Neilson, Plenum, New York, pp 125 - 138, (1995).

Robert Rees, Ian Snook , Tim Jakubov and David Mainwaring, "On the thermodynamic stability of adsorbed films and capillary condensation by molecular simulation". Adsorption Science and Technology, World Scientific, 568-572, (2000).

Phillip McMahon and Ian Snook , "Small Angle X-ray and Ultra Small Angle X-ray scattering from some fractal porous solids - Theory and experiment". Adsorption Science and Technology, World Scientific, 573-577, (2000).

A.S. Barnard, N.A. Marks, S.P. Russo and I.K. Snook , "Hydrogen Stabilization of {111} Nanodiamond". Mat. Res. Soc. Symp. Proc., 740 (2003).

A.E. Hughes, A.P. Boag, L.M, Pedrina, L. Juffs, D. G. McCulloch, J. DuPlessis, P.J.K. Paterson, I. K. Snook and B. O'Malley, "Statistical Approach to Determine Spatial and Elemental Correlations of CorrosionSites on Al-Alloys", Aluminium Surface Science and Technology Conference. Beaune, May 14 to 18, 2006. ATB Metallurige, 45 (1-4) 551 – 556 (2006).